(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione

C21H16FN5O3 — CID 91441317

IUPAC(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ncc[nH]3)cc2)N1
InChIInChI=1S/C21H16FN5O3/c22-15-6-3-13-10-27(18(28)16(13)9-15)11-21(19(29)25-20(30)26-21)14-4-1-12(2-5-14)17-23-7-8-24-17/h1-10,28H,11H2,(H,23,24)(H2,25,26,29,30)/t21-/m0/s1
InChIKeyDHWRAORBWWDICL-NRFANRHFSA-N
MW405.39 g/mol
LogP2.61
Rot. Bonds4

About (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 91441317) has the molecular formula C21H16FN5O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione
PubChem CID91441317
Molecular FormulaC21H16FN5O3
Molecular Weight405.39 g/mol
Exact Mass405.12
IUPAC Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ncc[nH]3)cc2)N1
InChIInChI=1S/C21H16FN5O3/c22-15-6-3-13-10-27(18(28)16(13)9-15)11-21(19(29)25-20(30)26-21)14-4-1-12(2-5-14)17-23-7-8-24-17/h1-10,28H,11H2,(H,23,24)(H2,25,26,29,30)/t21-/m0/s1
InChIKeyDHWRAORBWWDICL-NRFANRHFSA-N
XLogP2.61
TPSA112.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91104758
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
CID 91007023
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione
CID 91164804
(5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91498741
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91255807
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 90930043
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]imidazolidine-2,4-dione
CID 91476249
5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 91116411
(5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 91318323
(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 90881623
5-[(5-bromo-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 91572855

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione (CID 91441317) is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ncc[nH]3)cc2)N1.
What is the InChIKey of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is DHWRAORBWWDICL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16FN5O3/c22-15-6-3-13-10-27(18(28)16(13)9-15)11-21(19(29)25-20(30)26-21)14-4-1-12(2-5-14)17-23-7-8-24-17/h1-10,28H,11H2,(H,23,24)(H2,25,26,29,30)/t21-/m0/s1.
What are the key properties of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 405.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91441317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).